In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
None
None
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.57 | 4.63 | -21.86 | 0 | 9 | 0 | 105 | 501.557 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 7.41 | -74.09 | 1 | 9 | 1 | 106 | 502.565 | 5 | ↓ |